The Lead Discovery Informatics (LDI) Center in the Department of Chemical Biology and Therapeutics (CBT), led by Dr. Anang Shelat, and the Laboratory of Dr. Christoph Gorgulla in the Department of Structural Biology, are seeking a highly motivated computational chemist interested in applying state-of-the-art techniques in computer-aided drug design to discover novel small molecule modulators of targets relevant to pediatric disease.
The Lead Discovery Informatics (LDI) Center in the Department of Chemical Biology and Therapeutics (CBT), led by Dr. Anang Shelat, and the Laboratory of Dr. Christoph Gorgulla in the Department of Structural Biology, are seeking a highly motivated computational chemist interested in applying state-of-the-art techniques in computer-aided drug design to discover novel small molecule modulators of targets relevant to pediatric disease. The applicant is expected to work alongside domain experts in the biology of pediatric disease, chemists, and pharmacologists, as well as the various institutional shared resources devoted to translational science, in a collaborative project team environment.
The applicant must have a strong background in computational chemistry, including molecular dynamics simulations, virtual screening, quantitative structure activity relationship modeling, and chemical informatics. The applicant must also be comfortable using high performance computing resources; and developing, maintaining, and mining chemical and biological databases. Experience with designing proximity-based small molecule modulators, such as PROTACs and molecular glues, is welcome. Proficiency in scientific computing languages, such as R and python, and open-source programing tools such as Knime, RDKit, and ChemProp, is a plus.
LDI is a world-class collaborative research center with expertise in chemical informatics, molecular simulation, computer-aided molecular design, and chemically aware machine learning. Our mission is to enable a deeper interrogation of biology through the integration of chemistry, computation, and data science. The Gorgulla lab has pioneered the development of next generation methods for computational biology and ligand/drug discovery based on ultra-large virtual screenings, artificial intelligence, quantum chemistry, and quantum computing. Individuals with bold vision and who demonstrate excellence in research at the interface of chemistry, biology, and medicine are encouraged to join our team.

MINIMUM EDUCATION AND/OR TRAINING:

• Bachelor’s in Bioinformatics, Molecular Biology, Biochemistry, Computer Science, or related field
• Master’s degree preferred.

MINIMUM EXPERIENCE:

• Bachelor’s degree and 2+ years of relevant experience.
• No experience required with master’s degree.

• Perform data analysis independently using established techniques/methods.
• Set up tools and troubleshoot analyses using new or modified techniques.
• Accurately record/document/share code.
• Prepare and report results/ data leading to posters, presentations, or publications.
• Performs other duties as assigned to meet the goals and objectives of the department and institution.
• Maintains regular and predictable attendance.